ITCMDBv1
IngredientID 7313

6,4'-dimethoxy-5-hydroxyflavone 7-glucoside

C23H24O11

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
7313
Core Entity Id
11310
Source Entity Count
1
Preferred Name
6,4'-dimethoxy-5-hydroxyflavone 7-glucoside
Name En
Pubchem Id
11972339
Smiles Canonical
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)OC)O
Molecular Formula
C23H24O11
Molecular Weight
476.4340
Inchikey
JNNRILAYMZYEQB-FZFRBNDOSA-N
Inchi
InChI=1S/C23H24O11/c1-30-11-5-3-10(4-6-11)13-7-12(25)17-14(32-13)8-15(22(31-2)19(17)27)33-23-21(29)20(28)18(26)16(9-24)34-23/h3-8,16,18,20-21,23-24,26-29H,9H2,1-2H3/t16-,18-,20+,21-,23-/m1/s1
Isomeric Smiles
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O
Cas Id
Ob Score
Mol Logp
0.3615
Num H Donors
5
Num H Acceptors
11
Num Rotatable Bonds
6
Drug Likeness
0.3330
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
6,4'-dimethoxy-5-hydroxyflavone 7-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6,4'-dimethoxy-5-hydroxyflavone 7-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6,4'-dimethoxy-5-hydroxyflavone 7-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
53452-12-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
53452-12-3
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040762705
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040762705
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL496233
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL496233
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0203924
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0203924
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-7364
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-7364
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N9820
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N9820
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1305362
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1305362
Role
alias
Source
itcmdb_public
Preferred
No
Name
linaroside
Role
alias
Source
HERB_v2
Preferred
No
Name
linaroside
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one53452-12-3AKOS040762705CHEMBL496233CS-0203924FS-7364HY-N9820SCHEMBL1305362linaroside

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN012026
Npass
NPC186807
Tcmid
6240
Pub Chem
11972339
Tcmbank
TCMBANKIN049000

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C23H24O11/c1-30-11-5-3-10(4-6-11)13-7-12(25)17-14(32-13)8-15(22(31-2)19(17)27)33-23-21(29)20(28)18(26)16(9-24)34-23/h3-8,16,18,20-21,23-24,26-29H,9H2,1-2H3/t16-,18-,20+,21-,23-/m1/s1
Mol Wt
476.4340000000001
Smiles
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)OC)O
Mol Log P
0.3615
In Ch Ikey
JNNRILAYMZYEQB-FZFRBNDOSA-N
Mol2 Path
/TCM_database/2007_3d_all/06241.mol2
Reference
1880
Num Hdonors
5
Drug Likeness
0.333
Num Hacceptors
11
Isomeric Smiles
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O
Canonical Smiles
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)OC)O
Herb Alias Names
linaroside53452-12-35-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneCHEMBL496233SCHEMBL1305362HY-N9820AKOS040762705FS-7364CS-02039245-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
Molecular Formula
C23H24O11
Molecular Formula
C23H24O11
Num Rotatable Bonds
6